Geometry & MOs

Info

ID:	386747
PubChem CID:	134982774
Reduced:	O5C16H20 (1)
Stoich.:	A5B16C20 (1)
Weight, g/mol:	441.230394
ΔH_f, kcal/mol:	-140.68
Dipole, Da:	5.94
IP(EA), eV:	-9.67(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-[(2S,4R)-1-benzyl-4-phenylmethoxypyrrolidin-2-yl]-1-phenylmethoxybut-3-en-2-one

Drug info:

PubChemData

Smile

CC1=C(C2=C(COCCCOC2)C3=C1C(=O)OC3)COC

DOS

IR

Vibrations